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Commit 40233693 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
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opening section topology, as it is used

parent e6915e99
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......@@ -83,7 +83,7 @@ mainFileDescription = SM(
SM(name = 'coordinates',
startReStr = r"\s*Coordinates of moved atoms\s*\(?(au)?\)?:",
#forwardMatch = True,
sections = ['section_system','section_molecule_type'],
sections = ['section_system','section_topology','section_molecule_type'],
subMatchers = [
SM(r"\s*Coordinates of moved atoms\s*\(?(au)?\)?:"),
SM(r"\s*(?P<atom>\d+)\s*(?P<x_dftbp_atom_positions_X__bohr>[+-]?\d+\.\d+)\s*(?P<x_dftbp_atom_positions_Y__bohr>[+-]?\d+\.\d+)\s*(?P<x_dftbp_atom_positions_Z__bohr>[+-]?\d+\.\d+)\s*", repeats = True),
......
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